Class MoleculeBuilder

java.lang.Object
org.openscience.cdk.iupac.parser.MoleculeBuilder

public class MoleculeBuilder extends Object
Takes in parsed Tokens from NomParser and contains rules to convert those tokens to a Molecule.
Author:
David Robinson, Bhupinder Sandhu, Stephen Tomkinson
See Also:
Source code:
main
Requires:
ant1.6
  • Constructor Details

  • Method Details

    • buildMolecule

      protected IAtomContainer buildMolecule(int mainChain, List<AttachedGroup> attachedSubstituents, List<AttachedGroup> attachedGroups, boolean isMainCyclic, String name) throws ParseException, CDKException
      Start of the process of building a molecule from the parsed data. Passes the parsed tokens to other functions which build up the Molecule.
      Parameters:
      mainChain - The string representation of the length of the main chain.
      attachedSubstituents - A vector of AttachedGroup's representing substituents.
      attachedGroups - A vector of AttachedGroup's representing functional groups.
      isMainCyclic - An indication of if the main chain is cyclic.
      Returns:
      The molecule as built from the parsed tokens.
      Throws:
      ParseException
      CDKException